(E)-N-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)prop-2-enamide

C17H16FNO3 — CID 9098501

IUPAC(E)-N-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)prop-2-enamide
SMILESCOc1ccc(OC)c(NC(=O)/C=C/c2ccccc2F)c1
InChIInChI=1S/C17H16FNO3/c1-21-13-8-9-16(22-2)15(11-13)19-17(20)10-7-12-5-3-4-6-14(12)18/h3-11H,1-2H3,(H,19,20)/b10-7+
InChIKeyKQMXDZRQRCVJRC-JXMROGBWSA-N
MW301.32 g/mol
LogP3.49
Rot. Bonds5

About (E)-N-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)prop-2-enamide

(E)-N-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)prop-2-enamide (PubChem CID 9098501) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is (E)-N-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)prop-2-enamide
PubChem CID9098501
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name(E)-N-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)prop-2-enamide
SMILESCOc1ccc(OC)c(NC(=O)/C=C/c2ccccc2F)c1
InChIInChI=1S/C17H16FNO3/c1-21-13-8-9-16(22-2)15(11-13)19-17(20)10-7-12-5-3-4-6-14(12)18/h3-11H,1-2H3,(H,19,20)/b10-7+
InChIKeyKQMXDZRQRCVJRC-JXMROGBWSA-N
XLogP3.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464
(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420
N-[(2,5-dimethoxyphenyl)carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3457464
(E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide
CID 6017178
3-(5-bromo-2-fluorophenyl)-N-(2-ethoxy-5-methoxyphenyl)prop-2-enamide
CID 72687951
(E)-3-(2,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide
CID 2666320
N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 4023340
(E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 9098414
(E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 8749582
(E)-3-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 6025660
(E)-N-(5-acetamido-2-methoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 26243278
(E)-N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712961

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)prop-2-enamide (CID 9098501) is (E)-N-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)prop-2-enamide is COc1ccc(OC)c(NC(=O)/C=C/c2ccccc2F)c1.
What is the InChIKey of (E)-N-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)prop-2-enamide?
The InChIKey is KQMXDZRQRCVJRC-JXMROGBWSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-21-13-8-9-16(22-2)15(11-13)19-17(20)10-7-12-5-3-4-6-14(12)18/h3-11H,1-2H3,(H,19,20)/b10-7+.
What are the key properties of (E)-N-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)prop-2-enamide?
(E)-N-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)prop-2-enamide has a molecular weight of 301.32 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 9098501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).